#------------------------------------------------------------------------------
#$Date: 2016-02-20 02:53:41 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176768 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/09/2100924.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2100924
loop_
_publ_author_name
'André, C.'
'Luger, P.'
'Fuhrhop, J.-H.'
'Rosengarten, B.'
_publ_section_title
;
 Molecular recognition in polyols: the structure of
 <small>L</small>-mannonic acid hydrazide revealing a common packing
 motif in different acyclic sugars
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              375
_journal_page_last               382
_journal_paper_doi               10.1107/S0108768192010978
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H14 N2 O6'
_chemical_formula_weight         210.19
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 43'
_symmetry_space_group_name_H-M   'P 43'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.9380(10)
_cell_length_b                   4.9380(10)
_cell_length_c                   36.907(8)
_cell_volume                     899.9(3)
_diffrn_radiation_type           Cu
_diffrn_radiation_wavelength     1.5418
_exptl_absorpt_coefficient_mu    1.218
_exptl_crystal_density_diffrn    1.551
_exptl_crystal_F_000             448.0
_cod_data_source_file            cr0432.cif
_cod_data_source_block           cr0432a
_cod_original_cell_volume        899.93
_cod_database_code               2100924
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
C(1) .7376(6) .6900(6) .0272 2.52(9)
O(1) .5835(5) .8733(4) .01610(10) 3.18(7)
C(2) .6553(6) .4998(6) .05760(10) 2.36(8)
O(2) .4239(5) .3464(5) .04660(10) 3.06(7)
C(3) .5785(6) .6634(6) .09110(10) 2.32(8)
O(3) .7930(5) .8501(5) .09840(10) 2.71(7)
C(4) .5159(7) .4846(6) .12360(10) 2.54(8)
O(4) .7507(5) .3327(5) .13324(9) 2.98(7)
C(5) .4358(6) .6467(6) .15690(10) 2.49(9)
O(5) .2029(5) .8000(5) .14730(10) 3.22(8)
C(6) .3751(7) .4726(7) .18950(10) 3.10(10)
O(6) .1627(5) .2804(4) .18250(10) 3.21(7)
N(1) .9747(6) .6474(6) .01210(10) 3.24(8)
N(2) 1.0619(6) .7881(7) -.01890(10) 3.60(10)
H(2) .826(7) .380(7) .0632(9) 2.6(9)
H(4) .374(7) .377(8) .1190(10) 3.0(10)
H(3) .409(9) .746(7) .0850(10) 4.0(10)
H(5) .595(6) .777(7) .1631(9) 1.7(8)
H(61) .316(6) .577(6) .2116(8) 1.4(8)
H(62) .533(9) .355(8) .1970(10) 4.0(10)
H(02) .460(10) .190(10) .0360(10) 10(2)
H(O3) .877(8) .784(7) .1140(10) 2.0(9)
H(O4) .764(8) .199(8) .1250(10) 3.0(10)
H(O5) .210(9) .913(9) .1610(10) 5.0(10)
H(O6) .036(9) .356(8) .1670(10) 5.0(10)
H(N1) 1.088(9) .520(10) .0220(10) 6.0(10)
H(N21) 1.217(9) .880(10) -.0090(10) 6.0(10)
H(N22) .935(8) .937(8) -.0230(10) 4.0(10)
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
O(1) C(1) C(2) 121.7(3)
C(2) C(1) N(1) 116.9(3)
C(1) C(2) C(3) 109.8(3)
C(2) C(3) O(3) 108.1(3)
O(3) C(3) C(4) 112.1(3)
C(3) C(4) C(5) 112.7(3)
C(4) C(5) O(5) 106.7(3)
O(5) C(5) C(6) 110.0(3)
C(1) N(1) N(2) 122.6(3)
O(1) C(1) N(1) 121.3(3)
C(1) C(2) O(2) 109.5(3)
O(2) C(2) C(3) 108.1(3)
C(2) C(3) C(4) 112.5(3)
C(3) C(4) O(4) 109.7(3)
O(4) C(4) C(5) 106.7(3)
C(4) C(5) C(6) 113.4(3)
C(5) C(6) O(6) 112.3(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
C(1) O(1) 1.251(4)
C(1) N(1) 1.314(4)
C(2) C(3) 1.526(5)
C(3) C(4) 1.521(6)
C(4) C(5) 1.519(6)
C(5) C(6) 1.508(6)
N(1) N(2) 1.405(5)
C(1) C(2) 1.518(4)
C(2) O(2) 1.429(4)
C(3) O(3) 1.430(4)
C(4) O(4) 1.426(4)
C(5) O(5) 1.423(4)
C(6) O(6) 1.438(4)
